Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 3/20 | 0.41 |
| ▸ | AKT1 | P31749 | 5/20 | 0.41 |
| ▸ | RAF1 | P04049 | 1/20 | 0.40 |
| ▸ | GSK3A | P49840 | 2/20 | 0.39 |
| ▸ | GSK3B | P49841 | 2/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | PTGFR | P43088 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | AKT2 | P31751 | 3/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.37 |
| ▸ | CAMKK1 | Q8N5S9 | 2/20 | 0.37 |
| ▸ | CAMKK2 | Q96RR4 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.35 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.35 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.35 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.35 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3785543 | 0.87 | RAF1 (0.41) | DHODHAKT1RAF1PTGFRAKT2 | |
| SCHEMBL3781771 | 0.86 | DHODH (0.41) | DHODHAKT1RAF1PTGFRAKT2 | |
| SCHEMBL3788474 | 0.83 | AKT1 (0.42) | DHODHAKT1RAF1AKT2ADORA2A | |
| SCHEMBL3791392 | 0.83 | RAF1 (0.38) | DHODHAKT1RAF1GSK3AGSK3B | |
| SCHEMBL3784812 | 0.82 | MEN1 (0.40) | DHODHAKT1GSK3AGSK3BCDK2 | |
| SCHEMBL3776188 | 0.80 | RAF1 (0.38) | DHODHAKT1RAF1GSK3AGSK3B | |
| SCHEMBL3852779 | 0.78 | DHODH (0.45) | DHODHAKT1RAF1AKT2ADORA1 | |
| SCHEMBL3808843 | 0.78 | FAAH (0.46) | AKT1GSK3AGSK3BCDK2 | |
| SCHEMBL1352472 | 0.77 | AKT1 (0.66) | AKT1AKT2 | |
| SCHEMBL3708605 | 0.77 | GSK3A (0.36) | AKT1GSK3AGSK3BCDK2MEN1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2391623-A1 | INHIBITORS OF AKT ACTIVITY | Merck Sharp & Dohme Corp. (US) | 2011-12-07 | — | — | EP | disclosed |
| WO-2010088177-A1 | INHIBITORS OF AKT ACTIVITY | MERCK SHARP & DOHME CORP. (US) | 2010-08-05 | — | — | WO | disclosed |